3-(7-methoxy-3H-1,2-benzoselenazol-2-yl)piperidine-2,6-dione

C13H14N2O3Se — CID 159386129

IUPAC3-(7-methoxy-3H-1,2-benzoselenazol-2-yl)piperidine-2,6-dione
SMILESCOc1cccc2c1[Se]N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C13H14N2O3Se/c1-18-10-4-2-3-8-7-15(19-12(8)10)9-5-6-11(16)14-13(9)17/h2-4,9H,5-7H2,1H3,(H,14,16,17)
InChIKeyOAEFYLKCHWSISO-UHFFFAOYSA-N
MW325.23 g/mol
LogP-0.44
Rot. Bonds2

About 3-(7-methoxy-3H-1,2-benzoselenazol-2-yl)piperidine-2,6-dione

3-(7-methoxy-3H-1,2-benzoselenazol-2-yl)piperidine-2,6-dione (PubChem CID 159386129) has the molecular formula C13H14N2O3Se and a molecular weight of 325.23 g/mol. Its IUPAC name is 3-(7-methoxy-3H-1,2-benzoselenazol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-methoxy-3H-1,2-benzoselenazol-2-yl)piperidine-2,6-dione
PubChem CID159386129
Molecular FormulaC13H14N2O3Se
Molecular Weight325.23 g/mol
Exact Mass326.02
IUPAC Name3-(7-methoxy-3H-1,2-benzoselenazol-2-yl)piperidine-2,6-dione
SMILESCOc1cccc2c1[Se]N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C13H14N2O3Se/c1-18-10-4-2-3-8-7-15(19-12(8)10)9-5-6-11(16)14-13(9)17/h2-4,9H,5-7H2,1H3,(H,14,16,17)
InChIKeyOAEFYLKCHWSISO-UHFFFAOYSA-N
XLogP-0.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342225
3-(7-methoxy-3-oxo-1,2-benzoselenazol-2-yl)piperidine-2,6-dione
CID 157440550
2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione
CID 158666282
[2-(2,6-dioxopiperidin-3-yl)-7-methoxy-1-oxo-3H-isoindol-5-yl]azanium
CID 163510675
3-(4-chloro-7-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342046
methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
3-(7-fluoro-3H-1,2-benzoselenazol-2-yl)-5-methylidenepyrrolidin-2-one
CID 160593498
3-(5-methoxy-3-oxo-6-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342515
3-[7-[(3-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53354514
3-[6-[(3-methoxynaphthalen-2-yl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166819511
methyl [2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methanesulfonate
CID 175543319
3-[7-[(4-hydroxy-3,5-dimethoxyphenyl)diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 154722039

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-3H-1,2-benzoselenazol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-methoxy-3H-1,2-benzoselenazol-2-yl)piperidine-2,6-dione (CID 159386129) is 3-(7-methoxy-3H-1,2-benzoselenazol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-methoxy-3H-1,2-benzoselenazol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-methoxy-3H-1,2-benzoselenazol-2-yl)piperidine-2,6-dione is COc1cccc2c1[Se]N(C1CCC(=O)NC1=O)C2.
What is the InChIKey of 3-(7-methoxy-3H-1,2-benzoselenazol-2-yl)piperidine-2,6-dione?
The InChIKey is OAEFYLKCHWSISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3Se/c1-18-10-4-2-3-8-7-15(19-12(8)10)9-5-6-11(16)14-13(9)17/h2-4,9H,5-7H2,1H3,(H,14,16,17).
What are the key properties of 3-(7-methoxy-3H-1,2-benzoselenazol-2-yl)piperidine-2,6-dione?
3-(7-methoxy-3H-1,2-benzoselenazol-2-yl)piperidine-2,6-dione has a molecular weight of 325.23 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-3H-1,2-benzoselenazol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 159386129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).